[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C18H16ClNO4S MolecularWeight: 377.84194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C=CSC2=CC=CC=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/SC2=CC=CC=C2)Cl

InChI

InChI=1S/C18H16ClNO4S/c1-23-16-8-7-13(11-15(16)19)20-17(21)12-24-18(22)9-10-25-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)/b10-9+